58-82-2
AlkaPlorer ID: AK093237
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Structure
SMILES: N=C(N)NCCC[C@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
InChI: InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38+,39-/m0/s1
InChIKey: QXZGBUJJYSLZLT-HYGTWVIASA-N
Source
Properties Information
Molecule Weight: 1060.2279999999994
TPSA？: 431.23
MolLogP？: 0.6324400000000088
Number of H-Donors: 14
Number of H-Acceptors: 13
RingCount: 5
Activities Information
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